NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4105 8.1749 117.3830 63.4229 69.3408 173.1782 -4 E 5.5124 8.5002 125.0115 56.7231 33.5241 173.3785 -3 F 4.8164 8.9088 125.1782 56.1248 43.4287 173.0877 -2 K 4.1822 7.3839 127.0636 53.9220 35.2563 174.9342 -1 A 4.3334 7.3103 125.5135 50.8527 20.2545 176.8349 -4 G 5.1224 8.4102 113.6115 45.2231 0.0000 171.6785 -3 S 4.6664 8.9188 120.5782 56.7248 67.6287 171.8877 -2 A 4.1822 7.3339 130.4636 50.2220 21.2563 176.1342 -1 K 4.3334 7.3603 122.1135 54.5527 34.2545 175.6349 5 K 4.2070 8.1231 118.3532 59.4523 32.0542 179.4282 6 G 3.7452 8.1070 105.2774 47.5871 0.0000 175.2970 7 A 2.5800 7.6332 122.6553 54.9290 18.4734 179.7718 8 T 3.8319 7.6795 107.6397 64.7855 68.9075 176.5527 9 L 4.0618 7.8551 123.2870 56.8496 41.5615 179.0235 10 F 3.8919 8.1299 120.5527 61.4224 39.1419 177.2872 11 K 4.1955 8.1821 118.1975 58.8205 31.6461 178.7458 12 T 4.2493 7.9591 108.8321 62.6910 69.0030 176.4393 13 R 4.4669 8.2600 118.9324 56.0349 32.9050 176.0298 14 C 4.1617 7.9697 114.8025 60.6786 29.3648 175.7417 15 Q 4.5911 6.9560 119.3865 58.2710 28.7190 178.1463 16 Q 4.1818 7.9954 117.7431 58.8104 29.1424 176.5900 17 C 4.7992 8.6097 112.9108 59.5748 30.8982 173.6902 18 H 5.2936 7.8129 116.2576 54.0870 33.1673 172.6862 19 T 5.0443 8.5286 110.5507 60.4094 71.8648 174.4816 20 I 4.5406 8.1308 118.3905 60.3172 40.0172 175.1229 21 E 4.2430 7.9343 119.4280 55.8659 29.9711 175.6118 22 E 3.7143 8.2311 122.6682 57.6832 29.7702 176.9193 23 G 3.8464 8.9672 114.2382 45.9803 0.0000 173.2412 24 G 3.9322 7.6605 108.0766 43.4772 0.0000 172.7416 25 P 4.4994 0.0000 0.0000 62.0518 32.2352 176.1228 26 N 4.7688 8.4218 117.1661 53.4763 40.2727 174.9529 27 K 4.6743 8.7085 123.3549 55.7126 32.7851 178.4034 28 V 3.6953 8.9883 126.3755 66.1328 31.3984 175.7953 29 G 3.7819 8.1392 108.2228 42.3724 0.0000 170.9417 30 P 4.3151 0.0000 0.0000 61.6858 31.9806 175.9157 31 N 4.5738 9.0980 118.9645 53.9798 39.6275 174.8783 32 L 4.4622 8.2086 122.2536 54.3759 42.5968 176.1017 33 H 4.2175 7.9616 119.3679 56.8701 30.2061 175.1764 34 G 3.9202 9.5042 114.3013 46.2095 0.0000 175.3129 35 I 3.4877 7.3859 122.1079 63.8004 37.8630 177.6721 36 F 5.0021 7.4438 115.4490 58.2662 38.8404 175.7097 37 G 4.0434 7.8308 108.9441 45.1963 0.0000 172.9043 38 R 4.8210 7.8541 118.6714 54.6511 34.3921 174.0865 39 H 5.3383 8.5863 116.8273 53.8818 31.3106 175.1878 40 S 4.4343 8.5474 115.6306 58.9634 63.5728 174.0905 41 G 2.0662 7.6015 107.5669 46.9079 0.0000 174.2391 42 Q 4.5469 7.8894 114.9492 54.9748 30.5895 176.3109 43 V 3.9027 8.3593 120.3019 61.8361 32.1102 175.1615 44 K 4.0266 8.6561 129.0616 57.8721 32.4190 176.7381 45 G 4.0123 9.0758 115.0435 45.4403 0.0000 172.6485 46 Y 3.9301 7.3763 121.3965 56.7711 39.2805 174.8391 47 S 4.3017 6.6730 121.8364 56.9041 63.1763 173.3494 48 Y 4.6834 8.1785 123.3149 56.8893 39.5147 176.3094 49 T 4.3631 8.3856 111.8848 61.3649 71.3064 175.2924 50 D 4.3683 8.7527 121.7995 57.5985 40.8625 178.6096 51 A 3.9849 8.1896 120.6467 55.7682 18.0378 179.1549 52 N 4.3464 8.2032 113.6935 56.6242 39.4256 177.0003 53 I 3.7023 7.7311 121.1627 64.5807 37.0561 178.1903 54 N 4.3145 8.4790 116.0623 56.1301 38.3883 176.9075 55 K 3.7592 7.9962 120.3335 57.3314 32.8551 175.9544 56 N 3.9506 7.7262 115.4018 54.2530 37.9517 174.2560 57 V 3.4174 7.5269 117.9247 62.4361 33.0375 175.1370 58 K 4.2220 8.1621 129.6492 54.6790 32.9949 175.8988 59 W 4.6907 8.3618 129.2145 56.6355 30.0328 175.7582 60 D 5.5282 10.1806 124.9521 50.3281 42.6767 176.0087 61 E 3.7865 8.6994 117.4648 59.6658 28.7465 179.0155 62 D 4.4052 9.0986 120.1072 56.9998 41.0635 178.8464 63 S 4.1347 9.7449 116.0471 61.5383 62.9264 176.2917 64 M 4.1837 8.6796 122.2635 58.6085 31.8531 178.0985 65 S 4.1726 7.7917 111.8482 61.4387 62.7448 175.4747 66 E 4.0744 7.9778 122.1510 59.1013 29.2138 178.0649 67 Y 3.8858 7.9000 119.7154 60.7598 39.0227 178.0561 68 L 4.1161 8.1865 118.8896 57.0262 41.4927 179.5356 69 T 4.3094 7.6248 116.4676 65.3706 68.7418 173.3020 70 N 4.6529 7.7870 117.2749 52.4885 40.7729 172.7214 71 P 3.5119 0.0000 0.0000 63.4671 31.6102 178.2374 *73 K 4.1951 8.0176 121.0630 56.6915 33.8125 176.4874 74 Y 4.3394 8.2183 118.4936 60.0997 39.1195 175.7867 75 I 4.5617 8.6020 121.5693 57.7579 37.4579 172.0372 76 P 4.3920 0.0000 0.0000 64.2900 31.9834 176.4629 77 G 4.0723 9.0382 110.5289 45.5971 0.0000 173.9264 78 T 4.0153 7.6781 114.0114 62.5873 67.6349 173.5514 79 K 4.3879 8.6439 125.6944 56.8639 33.1678 176.0440 80 M 4.1829 7.8798 120.6634 55.8560 32.3577 176.8369 81 A 4.5280 8.3930 131.9989 50.4707 17.6648 174.8211 82 F 4.9258 7.7959 121.3648 55.4840 43.0377 174.9448 83 G 3.3138 8.0873 116.9362 48.6602 0.0000 172.6309 84 G 3.9347 5.3925 102.7237 43.7920 0.0000 172.7633 85 L 4.6272 8.6211 120.3307 52.6263 42.4585 177.2687 86 K 4.1109 8.6264 124.4729 58.4774 32.6379 178.6147 87 K 4.4395 7.8090 118.6231 54.7548 34.0494 176.7724 88 E 3.9520 8.7911 124.7700 59.4127 29.7058 178.6737 89 K 3.8877 8.1865 118.9910 60.0336 32.1742 178.0936 90 D 4.4345 7.9994 118.2392 57.5126 40.7362 178.8466 91 R 4.1434 8.2032 118.5831 58.9644 30.0024 178.7973 92 N 4.6506 9.0883 117.7346 56.4331 38.5682 177.0673 93 D 4.4731 8.0042 119.6758 57.3283 40.9590 178.5509 94 L 4.0922 7.9197 120.3756 58.5620 42.1849 179.1329 95 I 3.8504 8.6336 120.0089 64.5009 37.0085 178.3584 96 T 3.9724 8.3528 117.1507 66.9599 68.3086 175.5375 97 Y 4.0345 8.2542 120.9424 60.7674 38.7934 178.2143 98 L 3.8139 8.1832 119.6670 57.8245 41.5977 179.4783 99 K 3.5036 7.8447 116.7951 59.4735 32.0479 179.2456 100 K 3.9839 7.4531 116.2504 59.4871 32.1117 179.1878 101 A 3.8976 7.8852 119.7150 54.6303 18.4238 178.7742 102 C 4.0278 8.5404 114.6192 61.0178 28.1822 173.5615 103 E 4.0768 7.8255 125.7903 56.2312 29.3430 175.7618 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -5 T 8.17 4.41 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 -4 E 8.50 5.51 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 -3 F 8.91 4.82 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 K 7.38 4.18 0.00 1.49 1.33 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.09 1.25 7.81 -1 A 7.31 4.33 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 G 8.41 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 S 8.92 4.67 0.00 3.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 A 7.33 4.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 7.36 4.33 0.00 1.65 1.49 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.30 7.81 5 K 8.12 4.21 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 6 G 8.11 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.63 2.58 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.68 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 9 L 7.86 4.06 0.00 1.96 1.78 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.13 3.89 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.18 4.20 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.57 7.81 12 T 7.96 4.25 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 R 8.26 4.47 0.00 1.65 1.91 0.00 3.50 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 14 C 7.97 4.16 0.00 1.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 6.96 4.59 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 16 Q 8.00 4.18 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 17 C 8.61 4.80 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.81 5.29 0.00 3.22 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.53 5.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 20 I 8.13 4.54 1.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.59 0.00 0.00 21 E 7.93 4.24 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 22 E 8.23 3.71 0.00 1.56 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 23 G 8.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.66 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.50 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 26 N 8.42 4.77 0.00 2.81 2.94 0.00 0.00 6.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.71 4.67 0.00 1.78 0.98 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.35 7.81 28 V 8.99 3.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 29 G 8.14 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.32 0.00 1.97 1.28 0.00 3.49 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 31 N 9.10 4.57 0.00 2.74 2.75 0.00 0.00 7.01 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.21 4.46 0.00 1.66 1.42 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.96 4.22 0.00 3.26 3.19 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.50 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.39 3.49 1.69 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.45 0.18 0.00 0.00 36 F 7.44 5.00 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.83 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.85 4.82 0.00 1.98 1.92 0.00 3.15 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 H 8.59 5.34 0.00 2.92 3.13 0.00 5.90 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.55 4.43 0.00 4.07 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.89 4.55 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 43 V 8.36 3.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.08 0.00 0.00 44 K 8.66 4.03 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 45 G 9.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.38 3.93 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 6.67 4.30 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.18 4.68 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.39 4.36 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 50 D 8.75 4.37 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.19 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.20 4.35 0.00 2.93 3.05 0.00 0.00 7.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.73 3.70 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.86 0.00 0.00 54 N 8.48 4.31 0.00 2.71 2.85 0.00 0.00 7.06 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.00 3.76 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.22 1.24 7.81 56 N 7.73 3.95 0.00 2.87 2.70 0.00 0.00 7.18 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.53 3.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.62 0.00 0.00 58 K 8.16 4.22 0.00 1.54 1.58 0.00 1.56 0.00 0.00 1.40 0.00 0.00 3.17 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.45 7.81 59 W 8.36 4.69 0.00 3.40 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 10.18 5.53 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.70 3.79 0.00 1.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 62 D 9.10 4.41 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.74 4.13 0.00 3.89 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.68 4.18 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 65 S 7.79 4.17 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 4.07 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 67 Y 7.90 3.89 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.19 4.12 0.00 1.82 1.82 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.62 4.31 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 70 N 7.79 4.65 0.00 2.61 2.66 0.00 0.00 7.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 3.51 0.00 2.12 1.50 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.80 0.00 *73 K 8.02 4.20 0.00 1.90 2.12 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.57 7.81 74 Y 8.22 4.34 0.00 3.10 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.60 4.56 2.20 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 1.00 0.00 0.00 76 P 0.00 4.39 0.00 2.05 2.03 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 77 G 9.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.68 4.02 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 79 K 8.64 4.39 0.00 1.97 1.96 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 80 M 7.88 4.18 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 81 A 8.39 4.53 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.80 4.93 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.09 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 5.39 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.62 4.63 0.00 1.68 1.69 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.63 4.11 0.00 1.73 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.36 7.81 87 K 7.81 4.44 0.00 2.01 1.74 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 88 E 8.79 3.95 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 89 K 8.19 3.89 0.00 1.90 1.82 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.59 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.64 7.81 90 D 8.00 4.43 0.00 3.06 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.20 4.14 0.00 2.10 2.10 0.00 3.29 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 92 N 9.09 4.65 0.00 2.85 2.85 0.00 0.00 6.94 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.00 4.47 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.92 4.09 0.00 1.94 1.97 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.63 3.85 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.63 0.51 0.00 0.00 96 T 8.35 3.97 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 97 Y 8.25 4.03 0.00 3.38 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.18 3.81 0.00 2.08 1.95 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.84 3.50 0.00 1.83 1.64 0.00 1.32 0.00 0.00 1.12 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.13 7.81 100 K 7.45 3.98 0.00 1.70 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.54 7.81 101 A 7.89 3.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.54 4.03 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.83 4.08 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.